============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 27 0.840 68.046 34.689 97.387 -99.200 -91.000 PHE 29 1.000 63.893 30.301 101.235 -99.200 -91.000 TYR 32 0.840 67.308 39.670 98.933 -99.200 -91.000 TRP 33 1.040 58.950 41.081 101.158 -99.200 -91.000 TRP6 33 1.020 56.966 40.387 102.227 -99.200 -91.000 TRP 36 1.040 54.789 31.827 94.990 -99.200 -91.000 TRP6 36 1.020 55.505 29.901 93.842 -99.200 -91.000 TRP 47 1.040 52.024 40.131 93.176 -99.200 -91.000 TRP6 47 1.020 50.810 41.193 94.905 -99.200 -91.000 PHE 51 1.000 55.525 32.763 103.362 -99.200 -91.000 TYR 52 0.840 61.328 38.894 104.783 -99.200 -91.000 TYR 60 0.840 48.069 34.786 100.525 -99.200 -91.000 PHE 64 1.000 45.519 35.252 92.081 -99.200 -91.000 HIS 80 0.900 57.216 23.890 99.385 -99.200 -91.000 TRP 83 1.040 46.005 26.431 93.854 -99.200 -91.000 TRP6 83 1.020 48.182 26.231 92.982 -99.200 -91.000 TYR 93 0.840 49.627 28.578 88.836 -99.200 -91.000 TYR 94 0.840 56.983 32.363 84.519 -99.200 -91.000 TYR 102 0.840 67.073 48.189 91.157 -99.200 -91.000 PHE 110 1.000 57.790 40.244 92.320 -99.200 -91.000 PHE 112 1.000 69.050 37.410 90.028 -99.200 -91.000 TRP 113 1.040 61.215 37.083 87.033 -99.200 -91.000 TRP6 113 1.020 58.873 37.081 86.881 -99.200 -91.000 PHE 132 1.000 29.207 14.025 64.579 -99.200 -91.000 TYR 155 0.840 40.157 15.213 71.038 -99.200 -91.000 PHE 156 1.000 40.808 14.986 79.723 -99.200 -91.000 TRP 164 1.040 42.327 13.758 55.718 -99.200 -91.000 TRP6 164 1.020 40.003 13.802 55.291 -99.200 -91.000 HIS 174 0.900 46.170 23.813 58.592 -99.200 -91.000 PHE 176 1.000 42.793 24.639 60.476 -99.200 -91.000 TYR 186 0.840 41.832 19.092 75.028 -99.200 -91.000 TYR 204 0.840 38.813 13.086 48.118 -99.200 -91.000 HIS 210 0.900 41.149 9.960 72.623 -99.200 -91.000